N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N,4-dimethylcyclohexan-1-amine

C13H23N3O — CID 62411963

IUPACN-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(N(C)Cc2cc(CN)no2)CC1
InChIInChI=1S/C13H23N3O/c1-10-3-5-12(6-4-10)16(2)9-13-7-11(8-14)15-17-13/h7,10,12H,3-6,8-9,14H2,1-2H3
InChIKeyDBSATMPAWNPXDG-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.14
Rot. Bonds4

About N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N,4-dimethylcyclohexan-1-amine

N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N,4-dimethylcyclohexan-1-amine (PubChem CID 62411963) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N,4-dimethylcyclohexan-1-amine
PubChem CID62411963
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(N(C)Cc2cc(CN)no2)CC1
InChIInChI=1S/C13H23N3O/c1-10-3-5-12(6-4-10)16(2)9-13-7-11(8-14)15-17-13/h7,10,12H,3-6,8-9,14H2,1-2H3
InChIKeyDBSATMPAWNPXDG-UHFFFAOYSA-N
XLogP2.14
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-ethylcyclopropanamine
CID 62422956
N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-butylcyclopropanamine
CID 62430564
4-N-methyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclohexane-1,4-diamine
CID 79121827
5-[[cyclohexyl(methyl)amino]methyl]-1,2-oxazol-3-amine
CID 117038942
N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,4-dimethylcyclohexan-1-amine
CID 55069371
N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine
CID 63683904
N,3-dimethyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclohexan-1-amine
CID 62429692
N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-N-methylcycloheptanamine
CID 62433873
N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-N-methyloxan-4-amine
CID 55073850
N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 63705833
N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N,4-dimethylcyclohexan-1-amine
CID 64770083
5-[[(4-ethylcyclohexyl)-methylamino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63578218

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N,4-dimethylcyclohexan-1-amine (CID 62411963) is N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N,4-dimethylcyclohexan-1-amine is CC1CCC(N(C)Cc2cc(CN)no2)CC1.
What is the InChIKey of N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N,4-dimethylcyclohexan-1-amine?
The InChIKey is DBSATMPAWNPXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10-3-5-12(6-4-10)16(2)9-13-7-11(8-14)15-17-13/h7,10,12H,3-6,8-9,14H2,1-2H3.
What are the key properties of N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N,4-dimethylcyclohexan-1-amine?
N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N,4-dimethylcyclohexan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 62411963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).